Compound Detail
CHEMBL224263
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Basic Information
| ChEMBL ID | CHEMBL224263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPBFNRFRJLBCIQ-SSDOTTSWSA-N |
1
Targets
7
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
366.3
MW (Da)
3.70
ALogP
3
HBA
1
HBD
45.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.96
Ki 3 meas. best 9.05
IC50 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 9.05 | 8.45 | 0.9 | 3 |
| Androgen receptor CHEMBL1871 | EC50 | 8.96 | 8.96 | 1.1 | 3 |
| Androgen receptor CHEMBL1871 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 0.9 | nM | 9.05 | Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells | 18400499 |
| Androgen receptor | EC50 | = | 1.1 | nM | 8.96 | Agonist activity at human androgen receptor expressed in CV1 cells by transcript... | 17439112 |
| Androgen receptor | EC50 | = | 1.1 | nM | 8.96 | Agonist activity at human androgen receptor expressed in CV1 cells by transcript... | 17703938 |
| Androgen receptor | EC50 | = | 1.1 | nM | 8.96 | Agonist activity at human androgen receptor in CV1 cells by transcriptional acti... | 18400499 |
| Androgen receptor | Ki | = | 7.1 | nM | 8.15 | Displacement of [3H]DHT from human AR expressed in MDA-MB-453 cells | 17439112 |
| Androgen receptor | Ki | = | 7.1 | nM | 8.15 | Agonist activity at androgen receptor | 19432422 |
| Androgen receptor | IC50 | = | 70.0 | nM | 7.16 | Antagonist activity at human androgen receptor in CV1 cells by transcriptional a... | 18400499 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18400499 | 10.1016/j.bmcl.2008.03.062 | Androgen receptor | 5 |
| 17703938 | 10.1016/j.bmcl.2007.07.034 | Androgen receptor | 4 |
| 17439112 | 10.1021/jm061329j | Androgen receptor | 3 |
| 17439112 | 10.1021/jm061329j | Rattus norvegicus | 3 |
| 19432422 | 10.1021/jm900280m | Rattus norvegicus | 2 |
| 19432422 | 10.1021/jm900280m | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine